3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one

C18H21NO — CID 62611635

IUPAC3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one
SMILESCCN(CC(C)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-19(17-12-8-5-9-13-17)14-15(2)18(20)16-10-6-4-7-11-16/h4-13,15H,3,14H2,1-2H3
InChIKeyOMUVMRHICYTRES-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.03
Rot. Bonds6

About 3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one

3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one (PubChem CID 62611635) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one
PubChem CID62611635
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one
SMILESCCN(CC(C)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-19(17-12-8-5-9-13-17)14-15(2)18(20)16-10-6-4-7-11-16/h4-13,15H,3,14H2,1-2H3
InChIKeyOMUVMRHICYTRES-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one
CID 63483365
3-(N-ethylanilino)-2-methylpropanethioamide
CID 43367738
ethenyl 3-(N-ethylanilino)-2-methylpropanoate
CID 67266784
2-methyl-3-[methyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 62611631
3-(N-ethyl-4-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318873
3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid
CID 82318878
(2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one
CID 94514227
3-(N-ethyl-3-methylsulfanylanilino)-2-methylpropanoic acid
CID 82318912
1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one
CID 39381681
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
3-[N-(cyanomethyl)anilino]-2-methylpropanoic acid
CID 82318541
N,N-diethylaniline
CID 7061

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one (CID 62611635) is 3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one is CCN(CC(C)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one?
The InChIKey is OMUVMRHICYTRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-19(17-12-8-5-9-13-17)14-15(2)18(20)16-10-6-4-7-11-16/h4-13,15H,3,14H2,1-2H3.
What are the key properties of 3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one?
3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one has a molecular weight of 267.37 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 62611635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).